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{
"id": "jvasp-65129",
"created_at": "2022-09-04T14:36:19.632659Z",
"updated_at": "2022-09-04T14:36:19.632686Z",
"structure_string": "Be1 Hg4 Ru1\n1.0\n0.000000 3.973827 3.973827\n3.973827 0.000000 3.973827\n3.973827 3.973827 0.000000\nBe Hg Ru\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125646 0.624785 0.624785 Hg\n0.624785 0.624785 0.624785 Hg\n0.624785 0.125646 0.624785 Hg\n0.624785 0.624785 0.125646 Hg\n0.250000 0.250000 0.250000 Ru\n",
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{
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"structure_string": "Rb2 Cd26\n1.0\n8.603444 0.000000 4.967201\n2.867814 8.111404 4.967201\n-0.000000 -0.000000 9.934401\nRb Cd\n2 26\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750000 Rb\n0.802125 0.197874 0.557916 Cd\n0.557915 0.442084 0.802126 Cd\n0.442084 0.557915 0.197874 Cd\n0.302126 0.057915 0.697874 Cd\n0.057915 0.697874 0.302126 Cd\n0.697874 0.302126 0.057916 Cd\n0.302126 0.697874 0.942085 Cd\n0.302125 0.942084 0.057916 Cd\n0.942084 0.697874 0.057916 Cd\n0.197874 0.557915 0.802126 Cd\n0.197874 0.442084 0.557916 Cd\n0.442084 0.802126 0.557916 Cd\n0.557915 0.802126 0.197874 Cd\n0.802125 0.557915 0.442085 Cd\n0.557915 0.197874 0.442085 Cd\n0.802125 0.442084 0.197874 Cd\n0.442084 0.197874 0.802126 Cd\n0.942084 0.057915 0.302126 Cd\n0.057915 0.942084 0.697874 Cd\n0.057915 0.302126 0.942085 Cd\n0.697873 0.942084 0.302126 Cd\n0.942084 0.302126 0.697874 Cd\n0.697874 0.057915 0.942085 Cd\n0.197874 0.802126 0.442085 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n",
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{
"id": "jvasp-42576",
"created_at": "2022-09-04T14:36:19.629703Z",
"updated_at": "2022-09-04T14:36:19.629727Z",
"structure_string": "Li5 Fe4 O8\n1.0\n5.806513 0.046803 0.033175\n2.915928 5.021468 0.033175\n2.915928 1.694332 4.727101\nLi Fe O\n5 4 8\ndirect\n0.964777 0.553519 0.964778 Li\n0.964777 0.964776 0.553523 Li\n0.128180 0.128180 0.128180 Li\n0.553521 0.964776 0.964778 Li\n0.487206 0.487205 0.487207 Li\n0.491018 0.986577 0.491020 Fe\n0.491018 0.491017 0.986579 Fe\n0.981117 0.981116 0.981119 Fe\n0.986578 0.491017 0.491020 Fe\n0.745111 0.745111 0.250151 O\n0.251990 0.251989 0.251990 O\n0.227053 0.227052 0.737250 O\n0.227053 0.737249 0.227054 O\n0.737249 0.227052 0.227054 O\n0.250150 0.745111 0.745112 O\n0.745111 0.250149 0.745112 O\n0.731781 0.731780 0.731783 O\n",
"nsites": 17,
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"elements": [
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"volume": 136.54028592656744,
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"formula_full": "Li5 Fe4 O8",
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"formula_anonymous": "A4B5C8",
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{
"id": "jvasp-90739",
"created_at": "2022-09-04T14:36:19.624679Z",
"updated_at": "2022-09-04T14:36:19.624708Z",
"structure_string": "Nb2 Cr2 N4\n1.0\n3.207342 -0.000000 -0.000000\n-0.000000 3.207342 -0.000000\n0.000000 0.000000 8.319281\nNb Cr N\n2 2 4\ndirect\n0.000000 0.500000 0.620408 Nb\n0.500000 0.000000 0.379592 Nb\n0.000000 0.500000 0.123787 Cr\n0.500000 0.000000 0.876213 Cr\n0.000000 0.500000 0.354742 N\n0.500000 0.000000 0.645257 N\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 8,
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"formula_full": "Nb2 Cr2 N4",
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{
"id": "jvasp-69754",
"created_at": "2022-09-04T14:36:19.624289Z",
"updated_at": "2022-09-04T14:36:19.624314Z",
"structure_string": "Be2 Cd1 Cu1\n1.0\n3.996476 0.000000 0.000000\n0.000000 3.996476 0.000000\n0.000000 -0.000000 3.047226\nBe Cd Cu\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 -0.000000 Be\n0.500000 0.500000 0.500001 Cd\n0.000000 0.000000 0.500001 Cu\n",
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{
"id": "jvasp-66164",
"created_at": "2022-09-04T14:36:19.622730Z",
"updated_at": "2022-09-04T14:36:19.622758Z",
"structure_string": "Ba1 Mn1 Bi1\n1.0\n0.000000 3.928490 3.928490\n3.928490 0.000000 3.928490\n3.928490 3.928490 0.000000\nBa Mn Bi\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Bi\n",
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"density": 5.494804700830001,
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"volume": 121.2570369638721,
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{
"id": "jvasp-74824",
"created_at": "2022-09-04T14:36:19.621116Z",
"updated_at": "2022-09-04T14:36:19.621144Z",
"structure_string": "Be1 Cr1 Si1\n1.0\n1.296915 -2.246322 -0.000000\n1.296915 2.246322 0.000000\n0.000000 -0.000000 5.877640\nBe Cr Si\n1 1 1\ndirect\n0.000000 0.000000 0.997168 Be\n0.333331 0.666665 0.673658 Cr\n0.666665 0.333331 0.329174 Si\n",
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"formula_full": "Be1 Cr1 Si1",
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"spacegroup": 156
},
{
"id": "jvasp-94997",
"created_at": "2022-09-04T14:36:19.607780Z",
"updated_at": "2022-09-04T14:36:19.607801Z",
"structure_string": "Mn1 Ga2 Se4\n1.0\n5.662805 -0.000000 0.000000\n0.000000 5.662805 0.000000\n-2.831403 -2.831403 5.471810\nMn Ga Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 -0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.621663 0.133834 0.731155 Se\n0.109492 0.597321 0.731155 Se\n0.866165 0.890507 0.268845 Se\n0.402678 0.378337 0.268845 Se\n",
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{
"id": "jvasp-69030",
"created_at": "2022-09-04T14:36:19.601861Z",
"updated_at": "2022-09-04T14:36:19.601899Z",
"structure_string": "Ba2 Ca1 Pd1\n1.0\n0.000000 4.180206 4.180206\n4.180206 0.000000 4.180206\n4.180206 4.180206 -0.000000\nBa Ca Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Pd\n",
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{
"id": "jvasp-74420",
"created_at": "2022-09-04T14:36:19.600139Z",
"updated_at": "2022-09-04T14:36:19.600169Z",
"structure_string": "Be2 Cd1 Fe1\n1.0\n-1.716168 1.716168 4.057752\n1.716168 -1.716168 4.057752\n1.716168 1.716168 -4.057752\nBe Cd Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500001 Be\n0.500000 0.500000 0.000000 Cd\n0.750000 0.250000 0.500001 Fe\n",
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{
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"structure_string": "Ca1 Ni2 As2\n1.0\n3.823665 0.000000 -1.448683\n-0.548867 3.784066 -1.448683\n0.008271 0.009557 5.792276\nCa Ni As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.249999 0.750001 0.500001 Ni\n0.749999 0.250001 0.500001 Ni\n0.368862 0.368863 0.737727 As\n0.631136 0.631138 0.262275 As\n",
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{
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"created_at": "2022-09-04T14:36:19.598473Z",
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"structure_string": "La2 Fe2 Sb4\n1.0\n4.385854 -0.000000 0.000000\n-0.000000 4.385854 0.000000\n0.000000 0.000000 10.162548\nLa Fe Sb\n2 2 4\ndirect\n0.749999 0.749999 0.743215 La\n0.250000 0.250000 0.256785 La\n0.250000 0.749999 0.500000 Fe\n0.749999 0.250000 0.500000 Fe\n0.250000 0.749999 0.000000 Sb\n0.749999 0.250000 0.000000 Sb\n0.749999 0.749999 0.371308 Sb\n0.250000 0.250000 0.628692 Sb\n",
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